UCSF

ZINC35450681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.46 9.8 -21.35 1 8 0 99 480.322 6
Lo Low (pH 4.5-6) 1.46 10.26 -44.48 2 8 1 100 481.33 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )